Volume : 08, Issue : 12, December – 2021
Title:
49.COMPUTATIONAL EVALUATION OF SOME NOVEL CHALCONES AGAINST EGFR KINASE AND GLUCOSAMINE-6-PHOSPHATE SYNTHASE
Authors :
Adusumalli Chakravarthy, Prof. Vedula Girija Sastry, Prof. Yejella Rajendra Prasad, Dr. Suryadevara Vidyadhara, Dr. Vutla Venkata Rao
Abstract :
Chalcones have been considered molecules of great interest considering the multiple methods of synthesis and several starting materials from which they can be synthesized yielding many different molecules. Chalcones are also known to exhibit a wide variety of pharmacological activities and hence are the molecules of great research value in medicinal chemistry. Computational structure prediction of ligand-protein complexes using docking methods, like DOCK, FLEXx, and GOLDin combination with empirical scoring functions are used to predict ligand orientations in binding sites and binding affinities of ligands to proteins. Chalcones also are intermediates for many heterocyclic and other medicinal compounds. In the present study, a set of 15 newer chalcones were evaluated for their docking ability with two receptors and hence the most fit molecules are estimated.
Key Words: Chalcones, docking, Binding energy, Glucosamine-6-phosphate synthase, EGFR Kinase
Cite This Article:
Please cite this article in press Adusumalli Chakravarthy et al, Computational Evaluation Of Some Novel Chalcones Against Egfr Kinase And Glucosamine-6-Phosphate Synthase, Indo Am. J. P. Sci, 2021; 08(12).
Number of Downloads : 10
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